2-azanyl-3-[5-(4-methoxyphenyl)-3-oxidanylidene-1,2-oxazol-4-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[5-(4-methoxyphenyl)-3-oxidanylidene-1,2-oxazol-4-yl]propanoic acid Openeye Name: 2-amino-3-[5-(4-methoxyphenyl)-3-oxo-isoxazol-4-yl]propanoic acid CAS Name: 2-amino-3-[5-(4-methoxyphenyl)-3-oxo-4-isoxazolyl]propanoic acid IUPAC Name: 2-amino-3-[5-(4-methoxyphenyl)-3-oxo-1,2-oxazol-4-yl]propanoic acid Traditional Name: 2-amino-3-[3-keto-5-(4-methoxyphenyl)-4-isoxazolin-4-yl]propionic acid Formula: C13H14N2O5 MolecularWeight: 278.26066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)NO2)CC(C(=O)O)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)NO2)CC(C(=O)O)N

InChI

InChI=1S/C13H14N2O5/c1-19-8-4-2-7(3-5-8)11-9(12(16)15-20-11)6-10(14)13(17)18/h2-5,10H,6,14H2,1H3,(H,15,16)(H,17,18)